dimethyl-[1-[[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoylamino]methyl]cyclohexyl]azanium

Systemtic Name: dimethyl-[1-[[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoylamino]methyl]cyclohexyl]azanium Openeye Name: dimethyl-[1-[[[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetyl]amino]methyl]cyclohexyl]ammonium CAS Name: dimethyl-[1-[[[2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-1-oxoethyl]amino]methyl]cyclohexyl]ammonium IUPAC Name: dimethyl-[1-[[[2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]methyl]cyclohexyl]azanium Traditional Name: dimethyl-[1-[[[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetyl]amino]methyl]cyclohexyl]ammonium Formula: C26H32N5O3+ MolecularWeight: 462.56398

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCC1)CNC(=O)CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)C1(CCCCC1)CNC(=O)CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H31N5O3/c1-29(2)26(15-7-4-8-16-26)19-27-24(32)17-21-18-30(22-9-5-3-6-10-22)28-25(21)20-11-13-23(14-12-20)31(33)34/h3,5-6,9-14,18H,4,7-8,15-17,19H2,1-2H3,(H,27,32)/p+1